Compound Detail
CHEMBL81146
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Basic Information
| ChEMBL ID | CHEMBL81146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXAXMTYXAGATCT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.20
ALogP
6
HBA
3
HBD
115.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Platelet-derived growth factor receptor CHEMBL2095189 | IC50 | 4.64 | 4.64 | 22930.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.44 | 4.44 | 36400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor receptor 1 | IC50 | = | 360.0 | nM | 6.44 | Inhibition of the fibroblast growth factor receptor (FGFR1) | - |
| Platelet-derived growth factor receptor | IC50 | = | 22930.0 | nM | 4.64 | Inhibitory activity against platelet-derived growth factor receptor | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 36400.0 | nM | 4.44 | Inhibitory activity against cytosolic c-Src | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00445-9 | Platelet-derived growth factor receptor | 1 |
| - | 10.1016/S0960-894X(97)00445-9 | Fibroblast growth factor receptor 1 | 1 |
| - | 10.1016/S0960-894X(97)00445-9 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine